9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole

C39H29N5O — CID 162476216

IUPAC9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
SMILESCn1ccc2cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)cc21
InChIInChI=1S/C39H29N5O/c1-41-21-20-27-25-40-39(24-37(27)41)44-34-15-6-5-14-32(34)33-19-18-31(23-38(33)44)45-30-13-9-12-29(22-30)43-26-42(28-10-3-2-4-11-28)35-16-7-8-17-36(35)43/h2-25H,26H2,1H3
InChIKeyVCFVTHYWVVZNTD-UHFFFAOYSA-N
MW583.70 g/mol
LogP9.71
Rot. Bonds5

About 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole

9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole (PubChem CID 162476216) has the molecular formula C39H29N5O and a molecular weight of 583.70 g/mol. Its IUPAC name is 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
PubChem CID162476216
Molecular FormulaC39H29N5O
Molecular Weight583.70 g/mol
Exact Mass583.24
IUPAC Name9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
SMILESCn1ccc2cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)cc21
InChIInChI=1S/C39H29N5O/c1-41-21-20-27-25-40-39(24-37(27)41)44-34-15-6-5-14-32(34)33-19-18-31(23-38(33)44)45-30-13-9-12-29(22-30)43-26-42(28-10-3-2-4-11-28)35-16-7-8-17-36(35)43/h2-25H,26H2,1H3
InChIKeyVCFVTHYWVVZNTD-UHFFFAOYSA-N
XLogP9.71
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.70
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 162476049
3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476242
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 169289039
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine
CID 169289081
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-8,8,14,14-tetramethyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294376
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole (CID 162476216) is 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole is Cn1ccc2cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)cc21.
What is the InChIKey of 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The InChIKey is VCFVTHYWVVZNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N5O/c1-41-21-20-27-25-40-39(24-37(27)41)44-34-15-6-5-14-32(34)33-19-18-31(23-38(33)44)45-30-13-9-12-29(22-30)43-26-42(28-10-3-2-4-11-28)35-16-7-8-17-36(35)43/h2-25H,26H2,1H3.
What are the key properties of 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole has a molecular weight of 583.70 g/mol, XLogP of 9.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 162476216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).